1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine

C11H14FNS — CID 70904246

IUPAC1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCC1Sc2cccc(F)c2C1C
InChIInChI=1S/C11H14FNS/c1-7-10(6-13-2)14-9-5-3-4-8(12)11(7)9/h3-5,7,10,13H,6H2,1-2H3
InChIKeyKZCXJYKZISDXFO-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine

1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 70904246) has the molecular formula C11H14FNS and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID70904246
Molecular FormulaC11H14FNS
Molecular Weight211.30 g/mol
Exact Mass211.08
IUPAC Name1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCC1Sc2cccc(F)c2C1C
InChIInChI=1S/C11H14FNS/c1-7-10(6-13-2)14-9-5-3-4-8(12)11(7)9/h3-5,7,10,13H,6H2,1-2H3
InChIKeyKZCXJYKZISDXFO-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine (CID 70904246) is 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine is CNCC1Sc2cccc(F)c2C1C.
What is the InChIKey of 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is KZCXJYKZISDXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c1-7-10(6-13-2)14-9-5-3-4-8(12)11(7)9/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 211.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methyl-2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 70904246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).